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Electronic structure of unsaturated V2O5(001) and (100) surfaces: Ab initio density functional theory studies
Authors: Hejduk, Pawel; Witko, Malgorzata; Hermann, Klaus
Date of Publication (YYYY-MM-DD): 2009-05-21
Title of Journal: Topics in Catalysis
Volume: 52
Issue / Number: 8
Start Page: 1105
End Page: 1115
Document Type: Article
ID: 430615.0
 
Full text / Content available
Oxygen sites at molybdena and vanadia surfaces: Energetics of the re-oxidation process
Authors: Tokarz-Sobieraj, Renata; Grybos, R.; Witko, Malgorzata; Hermann, Klaus
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Collection of Czechoslovak Chemical Communications
Volume: 69
Issue / Number: 1
Start Page: 121
End Page: 140
Document Type: Article
ID: 41620.0
Importance of relaxation on the electronic structure of differently terminated vanadium sesquioxide surfaces: ab initio DFT studies
Authors: Hermann, Klaus; Czekaj, Izabela; Witko, Malgorzata
Place of Publication: Cancun, Mexico
Publisher: National Science Foundation
Date of Publication (YYYY-MM-DD): 2003-06-01
Name of Conference/Meeting: 18th North American Catalysis Society Meeting (NACS 2003)
Title of Proceedings: Proceedings of the 18th North American Catalysis Society Meeting (NACS 2003)
Start Page: 138
Document Type: Conference-Paper
ID: 41623.0
Structure and electronic properties of the V2O3(0001) surface: ab initio density functional theory cluster studies
Authors: Czekaj, Izabela; Witko, Malgorzata; Hermann, Klaus
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Surface Science
Volume: 525
Start Page: 46
End Page: 56
Document Type: Article
ID: 3471.0
Ab initio density functional theory studies on oxygen stabilization at the V2O3(0001) surface
Authors: Czekaj, Izabela; Hermann, Klaus; Witko, Malgorzata
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Surface Science
Volume: 545
Start Page: 85
End Page: 98
Document Type: Article
ID: 8428.0
Relaxation and electronic structure of the V2O3(0 0 0 1) surface: ab initio cluster model studies
Authors: Czekaj, Izabela; Hermann, Klaus; Witko, Malgorzata
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Surface Science
Volume: 525
Start Page: 33
End Page: 45
Document Type: Article
ID: 2522.4
Oxygen adsorption at the V2O3(0001) surface: DFT cluster model studies
Authors: Czekaj, Izabela; Witko, Malgorzata; Hermann, Klaus
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Annals of the Polish Chemical Society
Volume: 2
Issue / Number: III
Start Page: 899
End Page: 903
Document Type: Article
ID: 43690.0
Electronic structure of vanadium dioxide: Ab initio density functional theory studies of periodic and local systems
Authors: Hermann, Klaus; Chakrabarti, Aparna; Haras, A.; Witko, Malgorzata; Tepper, Bettina
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Physica Status Solidi (A)
Volume: 187
Start Page: 137
End Page: 149
Document Type: Article
ID: 2501.0
Theory of physical and chemical behavior of transition metal oxides: vanadium and molybdenum oxides
Authors: Hermann, Klaus; Witko, Malgorzata
Title of Book: Oxide surfaces
Start Page: 136
End Page: 198
Place of Publication: Amsterdam
Publisher: Elsevier
Date of Publication (YYYY-MM-DD): 2001
Document Type: InBook
ID: 2502.1
Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide
Authors: Hermann, Klaus; Witko, Malgorzata; Druzinic, Rok; Tokarz, R.
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Applied Physics A
Volume: 72
Start Page: 429
End Page: 442
Document Type: Article
ID: 2503.1
Entries: 1-10  
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